N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide CAS Name: N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide Traditional Name: 3-(benzylthio)-N-[4-(2-methylimidazol-1-yl)benzyl]propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-17-22-12-13-24(17)20-9-7-18(8-10-20)15-23-21(25)11-14-26-16-19-5-3-2-4-6-19/h2-10,12-13H,11,14-16H2,1H3,(H,23,25)